| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
B |
82 |
28 |
11671 |
x |
B |
x-y,x,z+1/6 |
6_555 |
74 |
21 |
11671 |
669.4 |
1.8 |
0.610 |
10 |
3 |
0 |
0.000 |
2 |
|
A |
68 |
19 |
11745 |
x |
A |
x-y,x,z+1/6 |
6_555 |
76 |
26 |
11745 |
645.0 |
-0.4 |
0.468 |
9 |
3 |
0 |
0.000 |
| Average: |
657.2 |
0.7 |
0.539 |
10 |
3 |
0 |
0.000 |
| 2 |
3 |
|
B |
51 |
13 |
11671 |
◊ |
A |
x,y,z |
1_555 |
48 |
13 |
11745 |
446.0 |
-4.5 |
0.133 |
0 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
38 |
14 |
11745 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
31 |
11 |
11671 |
319.5 |
-2.1 |
0.272 |
2 |
5 |
0 |
0.018 |
| 4 |
5 |
|
[PLM]A:701 |
18 |
1 |
569 |
f |
A |
x,y,z |
1_555 |
50 |
18 |
11745 |
319.3 |
1.0 |
0.223 |
0 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[MYR]B:702 |
16 |
1 |
496 |
◊ |
B |
x,y,z |
1_555 |
47 |
18 |
11671 |
302.3 |
5.1 |
0.356 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[MYR]A:703 |
15 |
1 |
495 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
11671 |
189.5 |
2.6 |
0.197 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[MYR]A:703 |
13 |
1 |
495 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
11745 |
184.4 |
1.6 |
0.170 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[GOL]B:901 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
11671 |
141.3 |
-1.5 |
0.319 |
6 |
0 |
0 |
0.020 |
| 9 |
10 |
|
[GOL]A:902 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
11745 |
140.0 |
-1.4 |
0.347 |
5 |
0 |
0 |
0.017 |
| 10 |
11 |
|
[GOL]B:904 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11671 |
106.4 |
-0.9 |
0.379 |
2 |
0 |
0 |
0.008 |
| 11 |
12 |
|
[IMD]B:804 |
5 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
11671 |
105.4 |
1.0 |
0.062 |
2 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[IMD]A:803 |
5 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
22 |
12 |
11745 |
104.0 |
0.9 |
0.071 |
2 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[GOL]B:903 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11671 |
94.8 |
0.1 |
0.557 |
2 |
0 |
0 |
0.004 |
| 14 |
15 |
|
A |
9 |
2 |
11745 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
9 |
2 |
11671 |
87.8 |
1.8 |
0.826 |
2 |
2 |
0 |
0.000 |
| 15 |
16 |
|
[PLM]A:701 |
6 |
1 |
569 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
11671 |
86.1 |
1.4 |
0.297 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
B |
11 |
4 |
11671 |
◊ |
[GOL]B:903 |
x-y,x,z+1/6 |
6_555 |
6 |
1 |
218 |
81.3 |
0.0 |
0.567 |
1 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[IMD]A:801 |
3 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
11745 |
65.7 |
1.0 |
0.173 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[IMD]B:802 |
4 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
11671 |
65.6 |
1.6 |
0.181 |
0 |
0 |
0 |
0.000 |
| 19 |
20 |
|
A |
7 |
2 |
11745 |
◊ |
[GOL]B:904 |
-y,x-y+1,z+1/3 |
2_565 |
4 |
1 |
220 |
54.2 |
0.7 |
0.672 |
1 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[CL]A:607 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11745 |
50.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.057 |
22 |
|
[CL]B:606 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
11671 |
48.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
49.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.057 |
| 21 |
23 |
|
B |
6 |
2 |
11671 |
◊ |
[IMD]B:802 |
x-y,x,z+1/6 |
6_555 |
5 |
1 |
197 |
44.7 |
1.4 |
0.086 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[MYR]B:702 |
3 |
1 |
496 |
f |
[MYR]A:703 |
x,y,z |
1_555 |
4 |
1 |
495 |
39.3 |
0.7 |
0.147 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[ZN]A:602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
11745 |
38.5 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.270 |
26 |
|
[ZN]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
11671 |
38.3 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.270 |
| Average: |
38.4 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.270 |
| 24 |
27 |
|
[IMD]A:801 |
5 |
1 |
197 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
5 |
2 |
11745 |
37.7 |
0.9 |
0.066 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[ZN]B:603 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11671 |
34.9 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.089 |
| 26 |
29 |
|
A |
8 |
4 |
11745 |
f |
[ZN]B:603 |
-y,x-y+1,z+1/3 |
2_565 |
1 |
1 |
98 |
34.6 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.091 |
| 27 |
30 |
|
[MYR]B:702 |
2 |
1 |
496 |
f |
[PLM]A:701 |
x,y,z |
1_555 |
4 |
1 |
569 |
33.2 |
0.0 |
0.176 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[MYR]A:703 |
3 |
1 |
495 |
f |
[PLM]A:701 |
x,y,z |
1_555 |
5 |
1 |
569 |
33.2 |
2.2 |
0.444 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[ZN]B:605 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
11671 |
32.5 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.162 |
33 |
|
[ZN]A:604 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
11745 |
32.5 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.162 |
| Average: |
32.5 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.162 |
| 30 |
34 |
|
[IMD]A:803 |
4 |
1 |
197 |
f |
[PLM]A:701 |
x,y,z |
1_555 |
3 |
1 |
569 |
32.5 |
0.3 |
0.058 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
B |
10 |
4 |
11671 |
◊ |
[CL]B:606 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
125 |
30.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[CL]A:607 |
1 |
1 |
125 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
9 |
3 |
11745 |
30.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
30.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[IMD]B:804 |
3 |
1 |
198 |
◊ |
[MYR]B:702 |
x,y,z |
1_555 |
4 |
1 |
496 |
28.3 |
1.6 |
0.125 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[IMD]B:804 |
3 |
1 |
198 |
f |
[ZN]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.3 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.193 |
39 |
|
[IMD]A:803 |
3 |
1 |
197 |
f |
[ZN]A:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.193 |
40 |
|
[IMD]B:802 |
3 |
1 |
197 |
f |
[ZN]B:605 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.193 |
41 |
|
[IMD]A:801 |
2 |
1 |
197 |
f |
[ZN]A:604 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.193 |
| Average: |
26.5 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.193 |
| 34 |
42 |
|
[IMD]B:802 |
2 |
1 |
197 |
f |
[CL]B:606 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
| 35 |
43 |
|
[IMD]A:801 |
2 |
1 |
197 |
f |
[CL]A:607 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| 36 |
44 |
|
[CL]B:606 |
1 |
1 |
125 |
f |
[ZN]B:605 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.047 |
| 37 |
45 |
|
[MYR]B:702 |
2 |
1 |
496 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
11745 |
19.0 |
-0.6 |
0.155 |
0 |
0 |
0 |
0.003 |
| 38 |
46 |
|
[CL]A:607 |
1 |
1 |
125 |
f |
[ZN]A:604 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.9 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.046 |
| 39 |
47 |
|
[ZN]A:604 |
1 |
1 |
98 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
4 |
1 |
11745 |
13.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
B |
3 |
1 |
11671 |
◊ |
[ZN]B:605 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
98 |
12.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
12.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
49 |
|
B |
1 |
1 |
11671 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
11745 |
12.0 |
0.3 |
0.837 |
0 |
0 |
0 |
0.000 |
| 41 |
50 |
|
[GOL]B:904 |
1 |
1 |
220 |
◊ |
[ZN]B:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
|